1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine

C16H26ClN3 — CID 63784820

IUPAC1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cccc(Cl)c2CCN)C1
InChIInChI=1S/C16H26ClN3/c1-3-19(4-2)13-9-11-20(12-13)16-7-5-6-15(17)14(16)8-10-18/h5-7,13H,3-4,8-12,18H2,1-2H3
InChIKeyRWHNVHCCUWAYKE-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.76
Rot. Bonds6

About 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine

1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63784820) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63784820
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cccc(Cl)c2CCN)C1
InChIInChI=1S/C16H26ClN3/c1-3-19(4-2)13-9-11-20(12-13)16-7-5-6-15(17)14(16)8-10-18/h5-7,13H,3-4,8-12,18H2,1-2H3
InChIKeyRWHNVHCCUWAYKE-UHFFFAOYSA-N
XLogP2.76
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]ethanamine
CID 63782919
2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
CID 63170372
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168224
2-[2-chloro-6-(4,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 55236775
2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 63787232
1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63369298
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
CID 115546052
2-[2-chloro-6-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783024
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 115546054
5-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzonitrile
CID 63510514
1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine (CID 63784820) is 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2cccc(Cl)c2CCN)C1.
What is the InChIKey of 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is RWHNVHCCUWAYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-19(4-2)13-9-11-20(12-13)16-7-5-6-15(17)14(16)8-10-18/h5-7,13H,3-4,8-12,18H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine?
1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 295.86 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63784820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).